# CIF generated by HEAS from Alexandria entry agm005758451 data_agm005758451 _cell_length_a 3.20658 _cell_length_b 4.68885 _cell_length_c 6.00565 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 83.67646 _cell_volume 89.74646 _symmetry_space_group_name_H-M 'P 1' _symmetry_Int_Tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zr1 Zr 0.27797 0.46303 0.75000 1.00000 Zr2 Zr 0.72203 0.53697 0.25000 1.00000 Cu1 Cu 0.00000 0.00000 0.00000 1.00000 Cu2 Cu 0.00000 0.00000 0.50000 1.00000 H1 H 0.74941 0.65893 0.57785 1.00000 H2 H 0.25059 0.34107 0.42215 1.00000 H3 H 0.25059 0.34107 0.07785 1.00000 H4 H 0.74941 0.65893 0.92215 1.00000 H5 H 0.85805 0.15778 0.75000 1.00000 H6 H 0.14195 0.84222 0.25000 1.00000